SCHEMBL135690

SCHEMBL135690

Nc1nc(I)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 1.00
PDPK1 O15530 1/20 0.66
GDA Q9Y2T3 1/20 0.66
DPP4 P27487 1/20 0.61
MAP3K5 Q99683 1/20 0.56
CDK1 P06493 13/20 0.51
CCNB1 P14635 13/20 0.51
CCNA2 P20248 11/20 0.51
CCNA1 P78396 11/20 0.51
MGMT P16455 4/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
PIN1 Q13526 1/20 0.49
HRH4 Q9H3N8 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butylamine SCHEMBL27790885 0.84 CDK2 (0.71) CDK2PDPK1GDADPP4MAP3K5
Tetrabuthylammonium SCHEMBL200612 0.82 CDK2 (0.68) CDK2PDPK1GDADPP4MAP3K5
2,6-Diaminopurine SCHEMBL24053 0.79 PDPK1 (1.00) CDK2PDPK1GDADPP4MAP3K5
SCHEMBL532461 0.79 CDK2 (0.66) CDK2PDPK1GDADPP4MAP3K5
2,6-Diaminopurine SCHEMBL27891733 0.78 PDPK1 (0.96) CDK2PDPK1GDADPP4MAP3K5
2,6-Diaminopurine SCHEMBL28206545 0.78 PDPK1 (0.96) CDK2PDPK1GDADPP4MAP3K5
2,6-Diaminopurine SCHEMBL8757979 0.78 PDPK1 (0.96) CDK2PDPK1GDADPP4MAP3K5
SCHEMBL5935896 0.76 CDK2 (0.61) CDK2PDPK1GDADPP4
SCHEMBL1336875 0.76 PDPK1 (0.66) CDK2PDPK1GDADPP4MAP3K5
Thioguanine SCHEMBL183648 0.76 PDPK1 (0.66) CDK2PDPK1GDADPP4MAP3K5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 215 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4560315-A2 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP claimed
EP-3980554-B1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES HOFFMANN LA ROCHE (CH) 2025-03-26 EP claimed
CN-118931997-A Method for synthesizing adenosine and/or uridine by three-enzyme cascade catalysis 上海飞腾医药科技有限公司 2024-11-12 CN claimed
US-20220195497-A1 HYBRIDIZING all-LNA OLIGONUCLEOTIDES ROCHE DIAGNOSTICS OPERATIONS, INC. 2022-06-23 US claimed
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 EP claimed
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 CN claimed
WO-2020245377-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-12-10 WO claimed
CN-105440281-A Polyamide resin, and preparation method therefor and molded product thereof TORAY ADVANCED MAT RES LABORATORIES (CHINA) CO LTD 2016-03-30 CN claimed
WO-2013090873-A1 A COMPOSITION AND METHOD FOR REDUCING CYANURIC ACID IN RECREATIONAL WATER HAVILAND PRODUCTS COMPANY (US) 2013-06-20 WO claimed
US-20100286084-A1 Oligomer-Nucleoside Phosphate Conjugates NEKTAR THERAPEUTICS (US) 2010-11-11 US claimed
EP-0861841-B1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS COMPANY (JP) 2001-04-04 EP claimed
US-5994541-A Process for producing 2-amino-6-iodopurine SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-11-30 US claimed
US-5817799-A 2'-Fluorofuranosyl derivatives and methods for preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-10-06 US claimed
EP-0861841-A1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS Company, Limited (JP) 1998-09-02 EP claimed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 EP claimed
EP-0540686-A4 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1993-05-26 EP claimed
EP-0540686-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES. US COMMERCE (US) 1993-05-12 EP claimed
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 WO claimed
JP-11060575-A None JP disclosed
EP-0294114-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286084-A1 Oligomer-Nucleoside Phosphate Conjugates ENTPD5, SLC29A2, SLC29A1 CDK2 1128/4885PDPK1 2582/4885GDA 701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.